BioLiP

PDB

BioLiP

PDB CCD ID:

97H

Number of entries in BioLiP:

Chemical formula:

C14 H11 N3 O

InChI:

InChI=1S/C14H11N3O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)

InChIKey:

XFJCGKHZUPJWNT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N
CACTVS 3.385	Nc1cccc(c1)C2=Nc3ccccc3C(=O)N2

Name:

2-(3-aminophenyl)-3~{H}-quinazolin-4-one

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).